Geometry & MOs

Info

ID:

193791

PubChem CID:

78437375

Reduced:

NO2S2C19H26 (1)

Stoich.:

AB2C2D19E26 (1)

Weight, g/mol:

385.144471

ΔHf, kcal/mol:

-14.42

Dipole, Da:

4.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754871

Charge, e:

 0

Chem-info

IUPAC name:

cyclopentyl 4-(3-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2CC[NH+](CC2)CC(CSC3=CC=CS3)O

DOS

IR

Vibrations